4-Nitrophenethyl tosylate

Base Information

• Chemical Name: 4-Nitrophenethyl tosylate
• CAS No.: 6948-72-7
• Molecular Formula: C15H15 N O5 S
• Molecular Weight: 321.354
• Hs Code.: 2906299090
• NSC Number: 55907
• DSSTox Substance ID: DTXSID00288462
• Nikkaji Number: J379.589F
• Wikidata: Q82024876
• Mol file: 6948-72-7.mol

Synonyms:6948-72-7;4-NITROPHENETHYL TOSYLATE;2-(4-NITROPHENYL)-ETHYLTOSYLATE;NSC55907;Benzeneethanol,4-nitro-, 1-(4-methylbenzenesulfonate);NCIOpen2_007566;SCHEMBL4033629;DTXSID00288462;BOMBDNFTAICOPN-UHFFFAOYSA-N;NSC-55907;4-Nitrophenethyl 4-methylbenzenesulfonate;EN300-25185930;2-(4-nitrophenyl)ethyl 4-methylbenzene-1-sulfonate;Benzeneethanol,4-nitro-,1-(4-methylbenzenesulfonate)

Chemical Property of 4-Nitrophenethyl tosylate

Chemical Property:

• Vapor Pressure: 5.74E-10mmHg at 25°C
• Boiling Point: 508.8 ºC at 760 mmHg
• Flash Point: 261.5ºC
• PSA: 97.57000
• Density: 1.322 g/cm³
• LogP: 4.45520
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 321.06709375
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

99.5% ^*data from raw suppliers

2-(4-NITROPHENYL)-ETHYLTOSYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-Nitrophenethyl tosylate

There total 3 articles about 4-Nitrophenethyl tosylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

2-(4-nitrophenyl)ethanol (100-27-6) + p-toluenesulfonyl chloride (98-59-9) → 4-[2-p-toluenesulphonyloxy ethyl]nitrobenzene (6948-72-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

Reference yield:

2-(4-nitrophenyl)ethanol (100-27-6) → 4-[2-p-toluenesulphonyloxy ethyl]nitrobenzene (6948-72-7)

Guidance literature:

(tosylation);

DOI:10.1021/ja00469a040

Reference yield:

→ 4-[2-p-toluenesulphonyloxy ethyl]nitrobenzene (6948-72-7)

Guidance literature:

2-(p-Nitrophenyl)-ethanol, p-Toluolsulfonylchlorid;

DOI:10.1021/ja01035a030

upstream raw materials:

2-(4-nitrophenyl)ethanol

p-toluenesulfonyl chloride

Downstream raw materials:

4-[2-(4-nitro-phenyl)-ethyl]-morpholine

1,3-dimethyl-6-[3-[N-[2-(4-nitrophenyl)ethyl]amino]propyl]-2,4(1H,3H)pyrimidinedione

6-[3-[N-methoxyethyl-N-[2-(4-nitrophenyl)ethyl]amino]propyl]-1,3-dimethyl-2,4(1H,3H)pyrimidinedione

2-(4-nitrophenyl)ethyl acetate

Refernces

• 1、 Fraser,Hoffmann. "". . p. 265. Retrieved 1967.
• 2、 Cheng, Kejun,Kim, In Jong,Lee, Mei-Jing,Adah, Steven A.,Raymond, Tyler J.,Bilsky, Edward J.,Aceto, Mario D.,May, Everette L.,Harris, Louis S.,Coop, Andrew,Dersch, Christina M.,Rothman, Richard B.,Jacobson, Arthur E.,Rice, Kenner C.. "Opioid ligands with mixed properties from substituted enantiomeric N-phenethyl-5-phenylmorphans. Synthesis of a -agonist δ-antagonist and δ-inverse agonists". . p. 1177 - 1190. Retrieved 2008/02/04.
• 3、 -. "PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES". Page 35. . Retrieved 2010/02/07.